4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline

C15H23NO2S — CID 107413945

IUPAC4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCC2CCC(C)C2)cc1
InChIInChI=1S/C15H23NO2S/c1-3-19(17,18)15-8-6-14(7-9-15)16-11-13-5-4-12(2)10-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyNCTNOKZKKJOFFE-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.33
Rot. Bonds5

About 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline

4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline (PubChem CID 107413945) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
PubChem CID107413945
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCC2CCC(C)C2)cc1
InChIInChI=1S/C15H23NO2S/c1-3-19(17,18)15-8-6-14(7-9-15)16-11-13-5-4-12(2)10-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyNCTNOKZKKJOFFE-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-4-ethylsulfonylaniline
CID 66006290
N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline
CID 106128111
3-[(4-ethylsulfonylanilino)methyl]cyclobutan-1-ol
CID 66006142
2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
CID 107414093
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
CID 113467284
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245
N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline
CID 43689650
4-(ethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415191
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethylsulfonylaniline
CID 63899170
4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106130891

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline?
The IUPAC name of 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline (CID 107413945) is 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline.
What is the SMILES notation for 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline?
The canonical SMILES for 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline is CCS(=O)(=O)c1ccc(NCC2CCC(C)C2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline?
The InChIKey is NCTNOKZKKJOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-19(17,18)15-8-6-14(7-9-15)16-11-13-5-4-12(2)10-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline?
4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline has a molecular weight of 281.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline is sourced from PubChem (CID 107413945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).